4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide

C20H21N3O5 — CID 55776443

IUPAC4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H21N3O5/c1-13-6-5-7-15(18(13)20(25)22-10-3-4-11-22)21-19(24)14-8-9-17(28-2)16(12-14)23(26)27/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,24)
InChIKeyCZIIPBOTUUDISF-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.40
Rot. Bonds5

About 4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide

4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide (PubChem CID 55776443) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
PubChem CID55776443
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H21N3O5/c1-13-6-5-7-15(18(13)20(25)22-10-3-4-11-22)21-19(24)14-8-9-17(28-2)16(12-14)23(26)27/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,24)
InChIKeyCZIIPBOTUUDISF-UHFFFAOYSA-N
XLogP3.40
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-nitro-N-(piperidine-1-carbothioyl)benzamide
CID 2901469
3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 119715820
4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 47035979
N-(3-chloro-2-fluorophenyl)-4-methoxy-3-nitrobenzamide
CID 51145763
4-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119715803
N-(2-acetylphenyl)-4-methoxy-3-nitrobenzamide
CID 7948545
N-(2-ethyl-6-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 717977
6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55776609
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 7758932
4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55714348
2-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-4-nitrobenzenesulfonamide
CID 55894867

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide (CID 55776443) is 4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide is COc1ccc(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide?
The InChIKey is CZIIPBOTUUDISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-13-6-5-7-15(18(13)20(25)22-10-3-4-11-22)21-19(24)14-8-9-17(28-2)16(12-14)23(26)27/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,24).
What are the key properties of 4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide?
4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide has a molecular weight of 383.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 55776443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).